(E,2S)-3-methyl-4-methylsulfanyl-2-phenyl-2-thiomorpholin-4-ium-4-yl-but-3-enenitrile

Systemtic Name: (E,2S)-3-methyl-4-methylsulfanyl-2-phenyl-2-thiomorpholin-4-ium-4-yl-but-3-enenitrile Openeye Name: (E,2S)-3-methyl-4-methylsulfanyl-2-phenyl-2-thiomorpholin-4-ium-4-yl-but-3-enenitrile CAS Name: (E,2S)-3-methyl-4-(methylthio)-2-phenyl-2-(4-thiomorpholin-4-iumyl)-3-butenenitrile IUPAC Name: (E,2S)-3-methyl-4-methylsulfanyl-2-phenyl-2-thiomorpholin-4-ium-4-ylbut-3-enenitrile Traditional Name: (E,2S)-3-methyl-4-(methylthio)-2-phenyl-2-thiomorpholin-4-ium-4-yl-but-3-enenitrile Formula: C16H21N2S2+ MolecularWeight: 305.48134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CSC)C(C#N)(C1=CC=CC=C1)[NH+]2CCSCC2

Isomeric SMILES

C/C(=C\SC)/[C@](C#N)(C1=CC=CC=C1)[NH+]2CCSCC2

InChI

InChI=1S/C16H20N2S2/c1-14(12-19-2)16(13-17,15-6-4-3-5-7-15)18-8-10-20-11-9-18/h3-7,12H,8-11H2,1-2H3/p+1/b14-12+/t16-/m1/s1